1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol

C22H23NO — CID 134604170

IUPAC1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol
SMILESC=C(O)c1c(C)cc(C)cc1-c1nccc2cc(CCC)ccc12
InChIInChI=1S/C22H23NO/c1-5-6-17-7-8-19-18(13-17)9-10-23-22(19)20-12-14(2)11-15(3)21(20)16(4)24/h7-13,24H,4-6H2,1-3H3
InChIKeyCGXUXWXCLDRPQT-UHFFFAOYSA-N
MW317.43 g/mol
LogP6.00
Rot. Bonds4

About 1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol

1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol (PubChem CID 134604170) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol.

Molecular Properties

Compound Name1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol
PubChem CID134604170
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol
SMILESC=C(O)c1c(C)cc(C)cc1-c1nccc2cc(CCC)ccc12
InChIInChI=1S/C22H23NO/c1-5-6-17-7-8-19-18(13-17)9-10-23-22(19)20-12-14(2)11-15(3)21(20)16(4)24/h7-13,24H,4-6H2,1-3H3
InChIKeyCGXUXWXCLDRPQT-UHFFFAOYSA-N
XLogP6.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-(2-methylpropyl)-1-(2,3,5-trimethylphenyl)isoquinoline
CID 147107503
1-bromo-6-propylisoquinoline
CID 82276403
6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinoline
CID 130343559
7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline
CID 58892513
1-(3,5-dimethylphenyl)-6-prop-1-en-2-ylisoquinoline
CID 163592988
1-(3,5-dimethyl-2-propan-2-yl-1-benzofuran-7-yl)-6-(2,2-dimethylpropyl)isoquinoline
CID 167258916
1-(3,5-dimethyl-2-propan-2-yl-1-benzofuran-7-yl)-6-(2-methylpropyl)isoquinoline
CID 167258911
6-butyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;(Z)-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 153438250
(1-methylisoquinolin-6-yl)methanol
CID 117277021
3,6-dipropylnaphthalene-1-sulfonic acid
CID 101322452
2-methyl-4-propylpyridine
CID 3358679
6-(2,2-dimethylpropyl)-1-(4-fluoro-2,5-dimethyl-1-benzofuran-7-yl)isoquinoline
CID 167258518

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol?
The IUPAC name of 1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol (CID 134604170) is 1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol.
What is the SMILES notation for 1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol?
The canonical SMILES for 1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol is C=C(O)c1c(C)cc(C)cc1-c1nccc2cc(CCC)ccc12.
What is the InChIKey of 1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol?
The InChIKey is CGXUXWXCLDRPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-5-6-17-7-8-19-18(13-17)9-10-23-22(19)20-12-14(2)11-15(3)21(20)16(4)24/h7-13,24H,4-6H2,1-3H3.
What are the key properties of 1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol?
1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol has a molecular weight of 317.43 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-6-(6-propylisoquinolin-1-yl)phenyl]ethenol is sourced from PubChem (CID 134604170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).